methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate

C14H13N3O4S — CID 90091831

IUPACmethyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC3CCNC3=O)cn2)s1
InChIInChI=1S/C14H13N3O4S/c1-20-14(19)11-7-17-13(22-11)9-3-2-8(6-16-9)21-10-4-5-15-12(10)18/h2-3,6-7,10H,4-5H2,1H3,(H,15,18)
InChIKeyRRYBZGQFZVGUTQ-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.26
Rot. Bonds4

About methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate

methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate (PubChem CID 90091831) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
PubChem CID90091831
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Namemethyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccc(OC3CCNC3=O)cn2)s1
InChIInChI=1S/C14H13N3O4S/c1-20-14(19)11-7-17-13(22-11)9-3-2-8(6-16-9)21-10-4-5-15-12(10)18/h2-3,6-7,10H,4-5H2,1H3,(H,15,18)
InChIKeyRRYBZGQFZVGUTQ-UHFFFAOYSA-N
XLogP1.26
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate (CID 90091831) is methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2ccc(OC3CCNC3=O)cn2)s1.
What is the InChIKey of methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is RRYBZGQFZVGUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-20-14(19)11-7-17-13(22-11)9-3-2-8(6-16-9)21-10-4-5-15-12(10)18/h2-3,6-7,10H,4-5H2,1H3,(H,15,18).
What are the key properties of methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate?
methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 319.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-oxopyrrolidin-3-yl)oxy-2-pyridinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90091831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).